Name: Name:8-(trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione
Brand: Angene
SKU: AG01BIDW
Rating: 90 (10 reviews)

8-(trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione

CAS No.:

72985-50-3

Catalog Number:

AG01BIDW

Molecular Formula:

C9H4F3NO3

Molecular Weight:

231.1282

Catalog Number:

AG01BIDW

Chemical Name:

8-(trifluoromethyl)-1H-benzo[d][1,3]oxazine-2,4-dione

CAS Number:

72985-50-3

Molecular Formula:

C9H4F3NO3

Molecular Weight:

231.1282

MDL Number:

MFCD18251388

IUPAC Name:

8-(trifluoromethyl)-1H-3,1-benzoxazine-2,4-dione

InChI:

InChI=1S/C9H4F3NO3/c10-9(11,12)5-3-1-2-4-6(5)13-8(15)16-7(4)14/h1-3H,(H,13,15)

InChI Key:

FWLOMSMDWVUGDL-UHFFFAOYSA-N

SMILES:

O=c1oc(=O)c2c([nH]1)c(ccc2)C(F)(F)F

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.13g/mol

Monoisotopic Mass:

231.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9